2-[[4-(4,5-dimethyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(4,5-dimethyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]-methyl-amino]ethanoic acid Openeye Name: 2-[4-(4,5-dimethyl-2-thioxo-1H-imidazol-3-yl)-N-methyl-anilino]acetic acid CAS Name: 2-[4-(4,5-dimethyl-2-sulfanylidene-1H-imidazol-3-yl)-N-methylanilino]acetic acid IUPAC Name: 2-[4-(4,5-dimethyl-2-sulfanylidene-1H-imidazol-3-yl)-N-methylanilino]acetic acid Traditional Name: 2-[4-(4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)-N-methyl-anilino]acetic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1)C2=CC=C(C=C2)N(C)CC(=O)O)C

Isomeric SMILES

CC1=C(N(C(=S)N1)C2=CC=C(C=C2)N(C)CC(=O)O)C

InChI

InChI=1S/C14H17N3O2S/c1-9-10(2)17(14(20)15-9)12-6-4-11(5-7-12)16(3)8-13(18)19/h4-7H,8H2,1-3H3,(H,15,20)(H,18,19)